N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

C17H19NO3 — CID 43193593

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC1CC1c1ccc(CNc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C17H19NO3/c1-11-8-14(11)15-5-3-13(21-15)10-18-12-2-4-16-17(9-12)20-7-6-19-16/h2-5,9,11,14,18H,6-8,10H2,1H3
InChIKeyGSEQDQMBVAMBKV-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.79
Rot. Bonds4

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43193593) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43193593
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC1CC1c1ccc(CNc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C17H19NO3/c1-11-8-14(11)15-5-3-13(21-15)10-18-12-2-4-16-17(9-12)20-7-6-19-16/h2-5,9,11,14,18H,6-8,10H2,1H3
InChIKeyGSEQDQMBVAMBKV-UHFFFAOYSA-N
XLogP3.79
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732667
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 43195287
[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
CID 43715050
2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine
CID 43690494
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine
CID 43746416
4-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-nitroaniline
CID 79753613
methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate
CID 43321572
1,1-dimethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]hydrazine
CID 83004795
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline
CID 43693687

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43193593) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is CC1CC1c1ccc(CNc2ccc3c(c2)OCCO3)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is GSEQDQMBVAMBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-8-14(11)15-5-3-13(21-15)10-18-12-2-4-16-17(9-12)20-7-6-19-16/h2-5,9,11,14,18H,6-8,10H2,1H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 285.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43193593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).